3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile

C8H5F3N4S — CID 103425787

IUPAC3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)3-15-7-4(1-12)6(14)5(2-13)16-7/h15H,3,14H2
InChIKeyOWKNMNJMAPPPSA-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.05
Rot. Bonds2

About 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile

3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile (PubChem CID 103425787) has the molecular formula C8H5F3N4S and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile
PubChem CID103425787
Molecular FormulaC8H5F3N4S
Molecular Weight246.22 g/mol
Exact Mass246.02
IUPAC Name3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)3-15-7-4(1-12)6(14)5(2-13)16-7/h15H,3,14H2
InChIKeyOWKNMNJMAPPPSA-UHFFFAOYSA-N
XLogP2.05
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419822
3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103417617
3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421855
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
CID 103422817
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422832
3-Amino-4-methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422868
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422870
3-Amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422874
3-Amino-4-methylsulfanyl-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422890
3-Amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-Amino-4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422896
3-Amino-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carbonitrile
CID 103425769

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile (CID 103425787) is 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile is N#Cc1sc(NCC(F)(F)F)c(C#N)c1N.
What is the InChIKey of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile?
The InChIKey is OWKNMNJMAPPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S/c9-8(10,11)3-15-7-4(1-12)6(14)5(2-13)16-7/h15H,3,14H2.
What are the key properties of 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile?
3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103425787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).